methyl 2-[methyl({8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)amino]acetate

• ChemBase ID: 511153
• Molecular Formular: C23H28N4O3
• Molecular Mass: 408.49342
• Monoisotopic Mass: 408.21614078
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CC(=O)OC)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: COC(=O)CN(Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C23H28N4O3/c1-17-9-8-13-27-19(15-25(2)16-20(28)30-4)21(24-22(17)27)23(29)26(3)14-12-18-10-6-5-7-11-18/h5-11,13H,12,14-16H2,1-4H3
• InChIKey: LVZVMJUAIOBZEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[methyl({8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)amino]acetate
• IUPAC Traditional name: methyl 2-[methyl({8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)amino]acetate
• Synonyms: methyl N-methyl-N-[(8-methyl-2-{[methyl(2-phenylethyl)amino]carbonyl}imidazo[1,2-a]pyridin-3-yl)methyl]glycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.239417
• LogD (pH = 7.4): 2.4517214
• Log P: 2.455223
• Molar Refractivity: 118.1189 cm^3
• Polarizability: 44.506546 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.5
• LOG S: -3.48
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 8